SCHEMBL7673616

SCHEMBL7673616

Nc1ccccc1C(=O)NC1CCCN1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
KDM4E B2RXH2 7/20 0.56
CRBN Q96SW2 2/20 0.51
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 1/20 0.40
FADS1 O60427 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
PTGS1 P23219 1/20 0.38
MAPT P10636 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10523974 0.82 NPC1 (0.60) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL7674053 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ECRBNLMNANPC1
SCHEMBL25143774 0.78 DDB1 (0.47) ALDH1A1CRBNLMNANPC1RAB9A
SCHEMBL29392153 0.77 CHEK1 (0.56) ALDH1A1KDM4ECRBN
SCHEMBL7673369 0.77 CHEK1 (0.56) ALDH1A1KDM4ECRBN
SCHEMBL22720116 0.76 ALDH1A1 (0.66) ALDH1A1KDM4ECRBNLMNAPKM
SCHEMBL13161898 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ECRBNLMNAPKM
SCHEMBL31267432 0.76 ALDH1A1 (0.59) ALDH1A1KDM4ECRBNLMNAPKM
SCHEMBL2060435 0.76 CRBN (0.56) ALDH1A1KDM4ECRBNLMNAPKM
SCHEMBL11056410 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ECRBNLMNAPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045437-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-06-02 US disclosed
US-9006239-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-04-14 US disclosed
US-8710064-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2014-04-29 US disclosed
US-20140018363-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CHINA MEDICAL UNIVERSITY (TW) 2014-01-16 US disclosed
US-20130310376-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CHINA MEDICAL UNIVERSITY (TW) 2013-11-21 US disclosed
US-20130102602-A1 2-Aryl-4-Quinazolinones And Their Pharmaceutical Compositions CHINA MEDICAL UNIVERSITY (TW) 2013-04-25 US disclosed
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130102602-A1 2-Aryl-4-Quinazolinones And Their Pharmaceutical Compositions AQP4, KRAS, RB1 ALDH1A1 755/4885KDM4E 1135/4885CRBN 350/4885
US-20130310376-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CCNE2, NFE2, NR2E1 ALDH1A1 1847/4885KDM4E 51/4885CRBN 1092/4885
US-20140018363-A1 2-ARYL-4-QUINAZOLINONES AND THEIR PHARMACEUTICAL COMPOSITIONS CCNE2, RB1, NR2E1 ALDH1A1 2164/4885KDM4E 91/4885CRBN 903/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.